4-[[4-[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-methyl-1,3-dioxo-isoindoline-5-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(2-methyl-1,3-dioxo-5-isoindolyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-methyl-1,3-dioxoisoindole-5-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(1,3-diketo-2-methyl-isoindoline-5-carbonyl)piperazino]methyl]benzonitrile Formula: C22H20N4O3 MolecularWeight: 388.4192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H20N4O3/c1-24-21(28)18-7-6-17(12-19(18)22(24)29)20(27)26-10-8-25(9-11-26)14-16-4-2-15(13-23)3-5-16/h2-7,12H,8-11,14H2,1H3